535943-24-9
3,5-DIBROMO-2-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIBROMO-2-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C17 H10 Br2 Cl N3 O5 S
MolWeight
563.609
1Identification
【Name】
3,5-DIBROMO-2-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03571681
【English Synonyms】
3,5-DIBROMO-2-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【Formula】
C17 H10 Br2 Cl N3 O5 S
【MolWeight】
563.609
【Inchi】
InChI=1S/C17H10Br2ClN3O5S/c18-9-6-10(16(25)26)15(11(19)7-9)22-17(29)21-14(24)4-2-8-1-3-12(20)13(5-8)23(27)28/h1-7H,(H,25,26)(H2,21,22,24,29)/b4-2+
【InChIKey】
InChIKey=ODWXLVGRMWXFJX-DUXPYHPUSA-N
【SMILES】
c1cc(c(cc1/C=C/C(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O)[N+](=O)[O-])Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIBROMO-2-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
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Catalog No:U78585 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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